SCHEMBL4118830

SCHEMBL4118830

COc1ccccc1C(c1ccc(NC(=O)C2(c3ccc4c(c3)OCO4)CC2)nc1)N1CCC(O)CC1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CFTR P13569 14/20 0.46
GAA P10253 1/20 0.41
P4HB P07237 1/20 0.40
SMAD3 P84022 1/20 0.40
KDM4D Q6B0I6 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1067799 0.95 CFTR (0.44) CFTRGAAKDM4DALDH1A1TP53
SCHEMBL1067801 0.95 CFTR (0.44) CFTRGAAKDM4DALDH1A1TP53
SCHEMBL4109016 0.93 CFTR (0.47) CFTRGAAP4HBSMAD3
SCHEMBL1073740 0.92 CFTR (0.47) CFTRGAAP4HBSMAD3
SCHEMBL1018988 0.92 P4HB (0.50) CFTRP4HBSMAD3TP53
SCHEMBL1071000 0.89 CFTR (0.46) CFTRGAANPC1POLB
SCHEMBL4116231 0.88 CFTR (0.43) CFTRGAAALDH1A1TP53NPC1
SCHEMBL4120628 0.88 CFTR (0.43) CFTRGAAALDH1A1TP53
SCHEMBL27804844 0.87 CFTR (0.46) CFTRTP53
SCHEMBL1083678 0.86 CFTR (0.43) CFTRGAAALDH1A1TP53NPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2980077-B1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMA (US) 2020-05-06 EP disclosed
EP-2980077-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2016-02-03 EP disclosed
EP-2980077-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS Vertex Pharmaceuticals Incorporated (US) 2016-02-03 EP disclosed
EP-2615085-B1 Pyridyl derivatives as CFTR modulators VERTEX PHARMA (US) 2015-08-26 EP disclosed
US-8889875-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-18 US disclosed
US-8889875-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-18 US disclosed
US-8889875-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-11-18 US disclosed
US-20130317020-A1 Pyridyl Derivatives as CFTR Modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-11-28 US disclosed
EP-2271621-B1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMA (US) 2013-11-20 EP disclosed
US-8524910-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-09-03 US disclosed
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 US disclosed
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-25 US disclosed
US-8227615-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-07-24 US disclosed
US-8227615-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-07-24 US disclosed
US-8227615-B2 Pyridyl derivatives as CFTR modulators VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-07-24 US disclosed
WO-2009123896-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-08 WO disclosed
WO-2009123896-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-08 WO disclosed
US-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-01 US disclosed
US-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-01 US disclosed
US-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-10-01 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090246137-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCC4, ABCB1 CFTR 1/4885GAA 841/4885P4HB 283/4885
US-20130317020-A1 Pyridyl Derivatives as CFTR Modulators CFTR, ABCC4, ABCB1 CFTR 1/4885GAA 841/4885P4HB 283/4885
US-20120270869-A1 PYRIDYL DERIVATIVES AS CFTR MODULATORS CFTR, ABCC4, ABCB1 CFTR 1/4885GAA 841/4885P4HB 283/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.